SEQ2FUN

BioLiP

PDB CCD ID: 4ER
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N5
InChI: InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey: RDRNLYCDZBVQKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1c(cccc1)c2nc(nc(n2)N)N
OpenEye OEToolkits 1.9.2c1ccc(c(c1)c2nc(nc(n2)N)N)Cl
CACTVS 3.385Nc1nc(N)nc(n1)c2ccccc2Cl
Name:6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL342886
ZINC: ZINC000000090336
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).